(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide

C18H21NO4S2 — CID 69475883

IUPAC(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide
SMILESCc1cc(C)c(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H](C)O[S@@]2=O)c(C)c1
InChIInChI=1S/C18H21NO4S2/c1-12-10-13(2)18(14(3)11-12)25(21,22)19-17(15(4)23-24(19)20)16-8-6-5-7-9-16/h5-11,15,17H,1-4H3/t15-,17-,24+/m1/s1
InChIKeyVZMQICYLKRFGLN-NZEOALSQSA-N
MW379.50 g/mol
LogP3.34
Rot. Bonds3

About (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide

(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide (PubChem CID 69475883) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide
PubChem CID69475883
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide
SMILESCc1cc(C)c(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H](C)O[S@@]2=O)c(C)c1
InChIInChI=1S/C18H21NO4S2/c1-12-10-13(2)18(14(3)11-12)25(21,22)19-17(15(4)23-24(19)20)16-8-6-5-7-9-16/h5-11,15,17H,1-4H3/t15-,17-,24+/m1/s1
InChIKeyVZMQICYLKRFGLN-NZEOALSQSA-N
XLogP3.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 12117577
(4R,5S)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 24809136
(4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 58722420
(2s,4r,5s)-4-Methyl-5-phenyl-3-(4-methyl phenyl-sulfonyl)-[1,2,3]-oxathiazolidine-2-oxide
CID 69240394
(3aS,8bR)-1-(2,4,6-trimethylphenyl)sulfonyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide
CID 102510203
N-[(1S)-2-hydroxy-1-phenylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 11324642
(2R,4S)-4-Benzyl-3-tosyl-1,2,3-oxathiazolidine 2-oxide
CID 54752481
4-methyl-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]benzenesulfonamide
CID 102148115
N-[(1R,2S)-2-hydroxy-1-phenylheptyl]-4-methylbenzenesulfonamide
CID 134901409
(2R,4S)-4-benzyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyloxathiazolidine 2-oxide
CID 135077693
(2R,3S)-2-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 164676738
(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 11291087

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide?
The IUPAC name of (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide (CID 69475883) is (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide.
What is the SMILES notation for (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide?
The canonical SMILES for (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide is Cc1cc(C)c(S(=O)(=O)N2[C@@H](c3ccccc3)[C@@H](C)O[S@@]2=O)c(C)c1.
What is the InChIKey of (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide?
The InChIKey is VZMQICYLKRFGLN-NZEOALSQSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-12-10-13(2)18(14(3)11-12)25(21,22)19-17(15(4)23-24(19)20)16-8-6-5-7-9-16/h5-11,15,17H,1-4H3/t15-,17-,24+/m1/s1.
What are the key properties of (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide?
(2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide has a molecular weight of 379.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-methyl-4-phenyl-3-(2,4,6-trimethylphenyl)sulfonyloxathiazolidine 2-oxide is sourced from PubChem (CID 69475883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).